Geometry & MOs

Info

ID:	415313
PubChem CID:	135088307
Reduced:	N4O5C27H28 (1)
Stoich.:	A4B5C27D28 (1)
Weight, g/mol:	388.211055
ΔH_f, kcal/mol:	-107.29
Dipole, Da:	6.73
IP(EA), eV:	-9.06(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-3-[3-(4-methylpiperazin-1-yl)butylamino]-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C2C=C(C=C1)C(=O)N[C@H]3CN(C[C@@H]3OC4=CC=C(CNC(=O)CO2)C=C4)CC5=CN=CC=C5

DOS

IR

Vibrations